期刊
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
卷 61, 期 46, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/anie.202211066
关键词
Eigen Cation; Electronic Structure; Hydrated Proton; Soft X-Ray Absorption Spectroscopy; Zundel Cation
资金
- German Science Foundation [DFG-NI 492/11-1]
- European Research Council (ERC) under the European Union [788704]
- Carl Tryggers Foundation [CTS18:285]
- European Union [860553]
- Swedish Research Council [2018-05973]
- Cluster of Excellence CUI: Advanced Imaging of Matter of the Deutsche Forschungsgemeinschaft
- Israel Science Foundation [1587/16]
- Projekt DEAL
- European Research Council (ERC) [788704] Funding Source: European Research Council (ERC)
The electronic structure of hydrated proton complexes is revealed in this study using accurate x-ray spectroscopic measurements, infrared spectral analysis, and calculations.
Seemingly simple yet surprisingly difficult to probe, excess protons in water constitute complex quantum objects with strong interactions with the extended and dynamically changing hydrogen-bonding network of the liquid. Proton hydration plays pivotal roles in energy transport in hydrogen fuel cells and signal transduction in transmembrane proteins. While geometries and stoichiometry have been widely addressed in both experiment and theory, the electronic structure of these specific hydrated proton complexes has remained elusive. Here we show, layer by layer, how utilizing novel flatjet technology for accurate x-ray spectroscopic measurements and combining infrared spectral analysis and calculations, we find orbital-specific markers that distinguish two main electronic-structure effects: Local orbital interactions determine covalent bonding between the proton and neigbouring water molecules, while orbital-energy shifts measure the strength of the extended electric field of the proton.
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